SCHEMBL6034023

SCHEMBL6034023

[NH]c1ccc(CCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.50
▸ CYP4A11 Q02928 2/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ PPARA Q07869 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ADRA2A P08913 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ TACR2 P21452 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ TP53 P04637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL239040 0.87 CA2 (0.60) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL2235297 0.84 CA2 (0.59) CA2CYP4A11PPARACYP4F2TDP1
SCHEMBL547631 0.84 CA2 (0.58) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL242247 0.81 CA2 (0.62) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL12235060 0.80 CA2 (0.50) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL22611850 0.80 CA2 (0.50) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL2329516 0.79 CA2 (0.54) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL3535251 0.79 CA2 (0.54) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL242504 0.78 CA2 (0.61) CA2CYP4A11LTA4HEPHX2CYP4F2
SCHEMBL274830 0.77 CA2 (0.71) CA2CYP4A11LTA4HEPHX2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 — — EP disclosed
EP-1222175-B1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES CELLTECH R&D LTD (GB) 2005-12-14 — — EP disclosed
US-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2005-08-04 — — US disclosed
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2004-11-25 — — US disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 — — US disclosed
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines DAVIS JEREMY MARTIN (GB) 2003-11-13 — — US disclosed
US-6600037-B1 The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis. CELLTECH R & D LIMITED (GB) 2003-07-29 — — US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 — — US disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 — — EP disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 — — US disclosed
US-6337335-B1 ENZYME INHIBITORS FOR AUTOIMMUNE DISEASES, TRANSPLANT REJECTION, GRANT VERSUS HOST DISEASE, HYPERPROLIFERATIVE DISORDERS AND DISEASES IN WHICH CELLS RECEIVE PRO-INFLAMMATORY SIGNALS. CELLTECH THERAPEUTICS LIMITED (GB) 2002-01-08 — — US disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 — — US disclosed
WO-2001029009-A1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES CELLTECH R&D LIMITED (GB) 2001-04-26 — — WO disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 — — WO disclosed
US-6048866-A Substituted 2-anilinopryimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS, LIMITED (GB) 2000-04-11 — — US disclosed
EP-0970056-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-01-12 — — EP disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 — — US disclosed
WO-1998041512-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-24 — — WO disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 — — EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 CA2 1148/4885CYP4A11 498/4885LTA4H 4672/4885
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CA2 1973/4885CYP4A11 395/4885LTA4H 4697/4885
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CA2 1858/4885CYP4A11 703/4885LTA4H 3576/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 CA2 1961/4885CYP4A11 396/4885LTA4H 4689/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CA2 2071/4885CYP4A11 593/4885LTA4H 3437/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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